1-(4-carboxybutanoyl)piperidine-3-carboxylic acid

C11H17NO5 — CID 54794401

IUPAC1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
SMILESO=C(O)CCCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17NO5/c13-9(4-1-5-10(14)15)12-6-2-3-8(7-12)11(16)17/h8H,1-7H2,(H,14,15)(H,16,17)
InChIKeyUBCYGDHRLVOPLC-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.56
Rot. Bonds5

About 1-(4-carboxybutanoyl)piperidine-3-carboxylic acid

1-(4-carboxybutanoyl)piperidine-3-carboxylic acid (PubChem CID 54794401) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-(4-carboxybutanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
PubChem CID54794401
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
SMILESO=C(O)CCCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17NO5/c13-9(4-1-5-10(14)15)12-6-2-3-8(7-12)11(16)17/h8H,1-7H2,(H,14,15)(H,16,17)
InChIKeyUBCYGDHRLVOPLC-UHFFFAOYSA-N
XLogP0.56
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 43590262
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 63168015
1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 43183413
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
(3S)-1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 126450015

Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxybutanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-carboxybutanoyl)piperidine-3-carboxylic acid (CID 54794401) is 1-(4-carboxybutanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-carboxybutanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-carboxybutanoyl)piperidine-3-carboxylic acid is O=C(O)CCCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(4-carboxybutanoyl)piperidine-3-carboxylic acid?
The InChIKey is UBCYGDHRLVOPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c13-9(4-1-5-10(14)15)12-6-2-3-8(7-12)11(16)17/h8H,1-7H2,(H,14,15)(H,16,17).
What are the key properties of 1-(4-carboxybutanoyl)piperidine-3-carboxylic acid?
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxybutanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 54794401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).